Computational discovery of novel FYN kinase inhibitors: a cheminformatics and machine learning-driven approach to targeted cancer and neurodegenerative therapy
Dhanushya Gopal, Rajesh Muthuraj, Rex Devasahayam Arokia Balaya, Saptami Kanekar, Iqrar Ahmed, Jaikanth Chandrasekaran
Topics & Concepts
FYNCheminformaticsPharmacophoreComputational biologyDocking (animal)DasatinibVandetanibDrug discoveryADMEDruggabilityVirtual screeningAfatinibIn silicoChemistryKinaseErlotinibBiologyCancerDrugPharmacologyBioinformaticsTyrosine kinaseBiochemistryProto-oncogene tyrosine-protein kinase SrcMedicineSignal transductionEpidermal growth factor receptorGeneticsGeneNursingComputational Drug Discovery MethodsQuinazolinone synthesis and applicationsProtein Degradation and Inhibitors